(8R,9S,10R,13S,14S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

C26H40O3Si — CID 71477254

About (8R,9S,10R,13S,14S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

(8R,9S,10R,13S,14S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione (PubChem CID 71477254) has the molecular formula C26H40O3Si and a molecular weight of 428.69 g/mol. Its IUPAC name is (8R,9S,10R,13S,14S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione.

Molecular Properties

• Compound Name: (8R,9S,10R,13S,14S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
• PubChem CID: 71477254
• Molecular Formula: C26H40O3Si
• Molecular Weight: 428.69 g/mol
• Exact Mass: 428.27
• IUPAC Name: (8R,9S,10R,13S,14S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
• SMILES: CC(C)(C)[Si](C)(C)OCC1=C2C=C[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CCC1=O
• InChI: InChI=1S/C26H40O3Si/c1-24(2,3)30(6,7)29-16-18-20-9-8-17-19-10-11-23(28)26(19,5)14-12-21(17)25(20,4)15-13-22(18)27/h8-9,17,19,21H,10-16H2,1-7H3/t17-,19-,21-,25-,26-/m0/s1
• InChIKey: KRCAWXJKOILMRP-QDRGDOQRSA-N
• XLogP: 6.26
• TPSA: 43.37 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.69
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (8R,9S,10R,13S,14S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione?

The IUPAC name of (8R,9S,10R,13S,14S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione (CID 71477254) is (8R,9S,10R,13S,14S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione.

What is the SMILES notation for (8R,9S,10R,13S,14S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione?

The canonical SMILES for (8R,9S,10R,13S,14S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione is CC(C)(C)[Si](C)(C)OCC1=C2C=C[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CCC1=O.

What is the InChIKey of (8R,9S,10R,13S,14S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione?

The InChIKey is KRCAWXJKOILMRP-QDRGDOQRSA-N. The full InChI is InChI=1S/C26H40O3Si/c1-24(2,3)30(6,7)29-16-18-20-9-8-17-19-10-11-23(28)26(19,5)14-12-21(17)25(20,4)15-13-22(18)27/h8-9,17,19,21H,10-16H2,1-7H3/t17-,19-,21-,25-,26-/m0/s1.

What are the key properties of (8R,9S,10R,13S,14S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione?

(8R,9S,10R,13S,14S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione has a molecular weight of 428.69 g/mol, XLogP of 6.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (8R,9S,10R,13S,14S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione is sourced from PubChem (CID 71477254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).